Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2921432 | 0.92 | TSHR (0.39) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL4647385 | 0.91 | MAPT (0.41) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL2925488 | 0.81 | MAPT (0.40) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL2923825 | 0.80 | REN (0.42) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL5509732 | 0.80 | REN (0.42) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL2924802 | 0.79 | TSHR (0.40) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL2914734 | 0.79 | TSHR (0.40) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL3906082 | 0.79 | MAPT (0.42) | MAPTRENTSHRCYP3A4SMPD1 | |
| SCHEMBL8466898 | 0.78 | REN (0.52) | RENCYP3A4 | |
| SCHEMBL4136437 | 0.78 | MAPT (0.42) | MAPTRENTSHRCYP3A4SMPD1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1958634-A2 | Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease | Speedel Experimenta AG (CH) | 2008-08-20 | — | — | EP | disclosed |